CID 503954

Chembl3392161

Structural Information

Molecular Formula
C34H49N6O11PS
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(C=C3)C[C@H]4COC(N4C(=O)OC(C)(C)C)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C34H49N6O11PS/c1-21-18-39(30(43)36-28(21)41)27-17-25(37-38-35)26(49-27)20-48-52(45,47-14-15-53-29(42)32(2,3)4)51-24-12-10-22(11-13-24)16-23-19-46-34(8,9)40(23)31(44)50-33(5,6)7/h10-13,18,23,25-27H,14-17,19-20H2,1-9H3,(H,36,41,43)/t23-,25-,26+,27+,52?/m0/s1
InChIKey
FKAKKZJPUKFLLV-ATTAIJTDSA-N
Compound name
tert-butyl (4S)-4-[[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyphenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

780.29175 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.29903 244.0
[M+Na]+ 803.28097 252.4
[M-H]- 779.28447 246.0
[M+NH4]+ 798.32557 248.6
[M+K]+ 819.25491 243.5
[M+H-H2O]+ 763.28901 231.7
[M+HCOO]- 825.28995 250.1
[M+CH3COO]- 839.30560 286.4
[M+Na-2H]- 801.26642 264.2
[M]+ 780.29120 272.9
[M]- 780.29230 272.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.